SCHEMBL13234946

SCHEMBL13234946

COc1cccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.76
▸ CA12 O43570 4/20 0.72
▸ CA2 P00918 4/20 0.72
▸ CA9 Q16790 4/20 0.72
▸ CA1 P00915 3/20 0.72
▸ GAA P10253 3/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ MAPK1 P28482 2/20 0.70
▸ LMNA P02545 3/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ HSD17B10 Q99714 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ PANK3 Q9H999 1/20 0.66
▸ HTR1A P08908 2/20 0.66
▸ HTR1D P28221 2/20 0.66
▸ HTR1B P28222 2/20 0.66
▸ NAMPT P43490 1/20 0.66
▸ CACNA1G O43497 1/20 0.66
▸ MEN1 O00255 1/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2948364 0.91 CA12 (0.79) MAPTCA12CA2CA9CA1
SCHEMBL13234933 0.91 MAPT (0.76) MAPTCA12CA2CA9CA1
SCHEMBL13234942 0.87 MAPT (0.79) MAPTCA12CA2CA9CA1
SCHEMBL13234932 0.86 MAPT (1.00) MAPTCA12CA2CA9CA1
SCHEMBL13234947 0.86 MAPT (1.00) MAPTCA12CA2CA9CA1
SCHEMBL13234938 0.82 CA12 (0.77) MAPTCA12CA2CA9CA1
SCHEMBL13234968 0.82 CA12 (0.66) MAPTCA12CA2CA9CA1
SCHEMBL13234915 0.81 MAPT (0.77) MAPTCA12CA2CA9CA1
SCHEMBL13234944 0.80 CA12 (0.89) MAPTCA12CA2CA9CA1
SCHEMBL27646179 0.80 CACNA1G (0.54) MAPTCA12CA2CA9CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 — — US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 — — US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 — — US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR MAPT 1165/4885CA12 4593/4885CA2 3207/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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